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	hartrees
Energy at 0K	-153.170964
Energy at 298.15K	-153.172883
Nuclear repulsion energy	88.928094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3198	2976	0.00
2	A_g	2276	2118	0.00
3	A_g	1573	1463	0.00
4	A_g	921	857	0.00
5	A_u	813	757	0.00
6	B_1u	3198	2976	4.30
7	B_1u	1724	1604	5.50
8	B_1u	1509	1404	0.06
9	B_2g	970	903	0.00
10	B_2g	367	341	0.00
11	B_2u	3270	3043	10.72
12	B_2u	1135	1056	0.10
13	B_2u	219	204	7.28
14	B_3g	3270	3043	0.00
15	B_3g	1118	1041	0.00
16	B_3g	317	295	0.00
17	B_3u	977	909	116.89
18	B_3u	199	185	4.85

Atom	y (Å)	z (Å)
C1	0.000	0.636
C2	0.000	-0.636
C3	0.000	1.952
C4	0.000	-1.952
H5	0.922	2.522
H6	-0.922	2.522
H7	0.922	-2.522
H8	-0.922	-2.522

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2713	1.3161	2.5874	2.0993	2.0993	3.2891	3.2891
C2	1.2713		2.5874	1.3161	3.2891	3.2891	2.0993	2.0993
C3	1.3161	2.5874		3.9035	1.0840	1.0840	4.5674	4.5674
C4	2.5874	1.3161	3.9035		4.5674	4.5674	1.0840	1.0840
H5	2.0993	3.2891	1.0840	4.5674		1.8444	5.0432	5.3699
H6	2.0993	3.2891	1.0840	4.5674	1.8444		5.3699	5.0432
H7	3.2891	2.0993	4.5674	1.0840	5.0432	5.3699		1.8444
H8	3.2891	2.0993	4.5674	1.0840	5.3699	5.0432	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.712
C1	C3	H6	121.712	C2	C1	C3	180.000
C2	C4	H7	121.712	C2	C4	H8	121.712
H5	C3	H6	116.577	H7	C4	H8	116.577

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: CID/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2CCCCH2 (Butatriene)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)